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88239-02-5 | 2,6-Dodecanedione, 5-[(acetyloxy)methyl]-
CAS No: 88239-02-5 Catalog No: AG004CUT MDL No:
Product Description
Catalog Number:
AG004CUT
Chemical Name:
2,6-Dodecanedione, 5-[(acetyloxy)methyl]-
CAS Number:
88239-02-5
Molecular Formula:
C15H26O4
Molecular Weight:
270.3645
IUPAC Name:
[3-oxo-2-(3-oxobutyl)nonyl] acetate
InChI:
InChI=1S/C15H26O4/c1-4-5-6-7-8-15(18)14(10-9-12(2)16)11-19-13(3)17/h14H,4-11H2,1-3H3
InChI Key:
PUMDWHXDUXSQSU-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C(COC(=O)C)CCC(=O)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.369g/mol
Monoisotopic Mass:
270.183g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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